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SCHEMBL3977584

SCHEMBL3977584

COC(=O)c1cc(C(=O)c2c(-c3ccc(OCc4ccccc4)cc3)noc2C)c[nH]1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ATM Q13315 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ BACE1 P56817 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HKDC1 Q2TB90 1/20 0.44
▸ SMPD1 P17405 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3975441 0.92 HTT (0.56) HTTSMN1; SMN2ALDH1A1LMNAATM
SCHEMBL3977188 0.88 SMN1; SMN2 (0.55) HTTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL3982594 0.87 SMN1; SMN2 (0.63) HTTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL13842515 0.87 HTT (0.61) HTTSMN1; SMN2ALDH1A1LMNAATM
SCHEMBL3982579 0.87 HTT (0.56) HTTSMN1; SMN2ALDH1A1LMNAATM
SCHEMBL3985260 0.86 HTT (0.60) HTTSMN1; SMN2ALDH1A1LMNAATM
SCHEMBL14546679 0.86 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNAATM
SCHEMBL3976829 0.85 HTT (0.52) HTTSMN1; SMN2ALDH1A1LMNABACE1
SCHEMBL3979883 0.85 HTT (0.54) HTTSMN1; SMN2ALDH1A1LMNAATM
SCHEMBL3982806 0.85 HTT (0.58) HTTSMN1; SMN2ALDH1A1LMNAATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 — — US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 — — US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 — — US disclosed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 — — EP disclosed
EP-1931661-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 — — EP disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 — — WO disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 — — WO disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 — — US disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 — — US disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 HTT 2677/4885SMN1; SMN2 3215/4885ALDH1A1 435/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.